Y35

(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)
Identifiers[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[3-[3-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-8-oxidanyl-7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-8-yl]phenyl]phenyl]methanone
FormulaC44 H46 B N4 O5
Molecular Weight721.671
TypeNON-POLYMER
Isomeric SMILES[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O
InChIInChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1
InChIKeyBXWXLCXUQLTPFH-WBVITSLISA-N

Chemical Details

Formal Charge-1
Atom Count100
Chiral Atom Count0
Bond Count107
Aromatic Bond Count30

Related Resource References

Resource NameReference
PubChem 145998266